Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7002908
Preview
| Coordinates | 7002908.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C39.5 H41 Mn2 N10 O9.5 |
|---|---|
| Calculated formula | C39.5 H41 Mn2 N10 O9.5 |
| Title of publication | Synthesis, structures and magnetic properties of polynuclear mixed-valence MnIIMnIII complexes containing 3-(2-phenol)-5-(pyridin-2-yl)-1,2,4-triazole ligand |
| Authors of publication | Liu, Hui; Tian, Jinlei; Kou, Yingying; Zhang, Jingyan; Feng, Li; Li, Dongdong; Gu, Wen; Liu, Xin; Liao, Daizheng; Cheng, Peng; Ribas, Joan; Yan, Shiping |
| Journal of publication | Dalton Transactions |
| Year of publication | 2009 |
| Journal issue | 47 |
| Pages of publication | 10511 - 10517 |
| a | 21.667 ± 0.006 Å |
| b | 19.462 ± 0.005 Å |
| c | 22.363 ± 0.006 Å |
| α | 90° |
| β | 116.436 ± 0.003° |
| γ | 90° |
| Cell volume | 8444 ± 4 Å3 |
| Cell temperature | 113 ± 2 K |
| Ambient diffraction temperature | 113 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0518 |
| Residual factor for significantly intense reflections | 0.0458 |
| Weighted residual factors for significantly intense reflections | 0.1231 |
| Weighted residual factors for all reflections included in the refinement | 0.128 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.091 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 198676 (current) | 2017-07-12 | cif/7/ (antanas@echidna.ibt.lt) Marking attached hydrogen atoms in entries 7000866, 7000871, 7000892, 7002908, 7004146, 7024361, 7024786, 7024816, 7025388, 7027036, 7028337, 7030823, 7031162, 7031177, 7031579, 7032669, 7033030, 7033031, 7033032, 7033033, 7033034, 7033035, 7052437, 7054318, 7228635. |
7002908.cif |
| 176453 | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7. |
7002908.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7002908.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7002908.cif |
| 1143 | 2010-05-03 | cif/7/ Adding CIFs from Dalton-Trans-2009/ deposition. |
7002908.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.